3UG
概要
| 表記: | 2,3,5,6-tetrafluoro-4-(piperidin-1-yl)benzenesulfonamide |
| 組成式: | C11 H12 F4 N2 O2 S |
| 電荷: | 0 |
| 化学式量: | 312.284 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 2,3,5,6-tetrafluoro-4-(piperidin-1-yl)benzenesulfonamide |
| OpenEye OEToolkits | 1.9.2 | 2,3,5,6-tetrakis(fluoranyl)-4-piperidin-1-yl-benzenesulfonamide |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=S(=O)(N)c1c(F)c(F)c(c(F)c1F)N2CCCCC2 |
| InChI | InChI | 1.03 | InChI=1S/C11H12F4N2O2S/c12-6-8(14)11(20(16,18)19)9(15)7(13)10(6)17-4-2-1-3-5-17/h1-5H2,(H2,16,18,19) |
| InChIKey | InChI | 1.03 | VVFJHOCIYNHEFY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1c(F)c(F)c(N2CCCCC2)c(F)c1F |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1c(F)c(F)c(N2CCCCC2)c(F)c1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C1CCN(CC1)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F |
| SMILES | OpenEye OEToolkits | 1.9.2 | C1CCN(CC1)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F |
